Marvin  08011113572D          

 19 21  0  0  1  0            999 V2000
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    8.2591   -7.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2454   -7.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5240   -6.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -8.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9735   -8.3685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5240   -5.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831   -6.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8771   -9.7363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5534   -9.2364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2297   -9.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9651  -10.5008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1418  -10.5008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3184  -10.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650  -11.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0536  -11.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7299  -11.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932   -9.1519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
 11  1  1  1  0  0  0
  3  2  1  0  0  0  0
  7  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  4  2  0  0  0  0
  6  5  2  0  0  0  0
  9  5  1  0  0  0  0
 11 10  1  0  0  0  0
 10 15  1  0  0  0  0
 14 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 13 16  1  6  0  0  0
 14 15  1  0  0  0  0
 14 17  1  1  0  0  0
 18 17  1  0  0  0  0
 10 19  1  1  0  0  0
M  END
> <ID>
CHEBI:46026

> <NAME>
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine

> <DEFINITION>
A carbobicyclic compound that is bicyclo[3.1.0]hexane which is substituted at the 2-pro-S, 4-pro-S and 5-pro-R positions by thymin-1-yl, hydroxy, and hydroxymethyl groups, respectively.

> <STAR>
3

> <SYNONYM>
north-methanocarbathymidine; 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE; 1-[(1'S,2'S,4'S,5'R)-4'-hydroxy-5'-(hydroxymethyl)bicyclo[3.1.0]hexan-2'-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

> <IUPAC_NAME>
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

> <FORMULA>
C12H16N2O4

> <MASS>
252.26640

> <MONOISOTOPIC_MASS>
252.11101

> <CHARGE>
0

> <SMILES>
[H][C@]12C[C@@]1(CO)[C@@H](O)C[C@@H]2n1cc(C)c(=O)[nH]c1=O

> <INCHI>
InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1

> <INCHIKEY>
NOWRLNPOENZFHP-ARHDFHRDSA-N

> <REAXYS_REGISTRY_NUMBER>
6811572

> <PDBECHEM_ACCESSION>
TMC

> <PUBMED_CITATION>
16304159; 20625519

$$$$